Comparison of three methods for calculation of electron transfer probability in H++Ne

Wang, F.; Hong, Xiang; Wang, J.; Gou, Bin; Wang, J.G.

doi:10.1016/j.physleta.2011.11.031

Cited by 13 publications

(6 citation statements)

References 28 publications

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“…The TDDFT method has been described thoroughly in previous works [17][18][19] and we only briefly discuss it here. In principle, all dynamic information of ion-atom collisions can be obtained by using the TDSE method.…”

Section: Theoretical and Computational Methodsmentioning

confidence: 99%

Theoretical investigation of He2+-Ar collisions in the energy range of 4–300 keV/amu

et al. 2013

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The time-dependent density functional theory is applied to investigate the charge transfer and electron-loss processes during He'' ' "-Ar collisions in the energy range of 4-300 keV/amu. A coordinate space translation technique is employed to focus our investigation on some certain space of interest such as the regions around the projectile or target. It is shown that both charge transfer and electi-on-loss processes are important in the considered energy range. One-electron-capture processes dominate charge transfer with the cross sections one to two orders of magnitude larger than two-electron-capture cross sections. The ionization cross sections decrease with increasing the number of ionized electrons. The calculated cross sections are in excellent agreement with available experimental and theoretical results. Evolution of electron density is also presented to explore interactions between the electrons as well as the correlation between the projectile and target during the collisions.

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Section: Theoretical and Computational Methodsmentioning

confidence: 99%

Theoretical investigation of He2+-Ar collisions in the energy range of 4–300 keV/amu

et al. 2013

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“…All these complications due to the target non-Coulomb potential are also very hard to be incorporated in any ab initio calculation. In this regard it should be mentioned that there are many fruitful references to the nonperturbative models [22][23][24][25][26][27] and the densityfunctional theories [28][29][30], which have been sufficiently effective to tackle the multielectronic problem particularly for the heavier atomic targets, large molecules, clusters or even solids.…”

Section: Introductionmentioning

confidence: 99%

Energy and angular distribution of electrons in ionization of He and Ne by 6-MeV/u bare carbon ions: Comparison with continuum-distorted-wave eikonal-initial-state calculations in prior and post forms

et al. 2014

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We have measured the absolute double-differential cross sections (DDCS) for electron emission in ionization of He and Ne atoms under the impact of 6-MeV/u C 6+ ions. Data were collected between 1 and 500 eV for He, while for Ne this range was extended up to 1000 eV. The angular ranges covered in the experiment are 30 • to 150 • and 20 • to 160 • for He and Ne, respectively. The DDCS spectra are compared with the prior and the post forms of the state-of-the-art continuum-distorted-wave eikonal-initial-state model. Both the theoretical models show very good agreement with the energy and angular distributions of the DDCS in the case of He. For Ne, at low energies both are going together and matching very well with the data. In the high-energy region, at extreme forward and backward angles, although both the forms are underestimating the experimental data to some extent, the prior form shows much better agreement compared to the post form. This post-prior discrepancy is attributed to the influence of dynamic screening, on the ionized one, produced by the electrons remaining in the target. The single differential cross sections (SDCS) in emission angle ( dσ d e ) and electron energy ( dσ d e ) are deduced by integrating the electron DDCS spectra. While excellent agreement is obtained for the dσ d e spectrum, the dσ d e provides a further sensitive test to the adequacy of the theoretical model employed. The total cross section obtained from the SDCS spectra is about 11% higher than the prior model for He and about 6% lower for Ne. To get the quantitative picture of the two-center effect, the forward-backward angular asymmetry parameter has been deduced as a function of velocity of the ejected electrons. For both the targets, it is very well reproduced by both the forms of the theory. For the Ne target, K-LL Auger angular distribution has also been studied, which shows small asymmetry caused by multiple vacancies in the L shell along with the K-shell vacancy.

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“…Information about the projectile's charge state could be estimated by analyzing coefficients of the KS orbitals in an atomic orbital basis, 36,[60][61][62][63] by projecting the KS orbitals onto atomic orbitals, 64 or by considering probabilities that the KS orbitals are localized within a given volume of interest. [65][66][67][68][69] However, many of these methods have well-known shortcomings, most notably that they rely directly on the single-particle, non-interacting KS orbitals which have no rigorous physical meaning.…”

Section: Methodsmentioning

confidence: 99%

Pre-equilibrium stopping and charge capture in proton-irradiated aluminum sheets

Kononov,

Schleife

2020

Preprint

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We present a first-principles study of pre-equilibrium stopping power and projectile charge capture in thin aluminum sheets irradiated by 6 -60 keV protons. Our time-dependent density functional theory calculations reveal enhanced stopping power compared to bulk aluminum, particularly near the entrance layers. We propose the additional excitation channel of surface plasma oscillations as the most plausible explanation for this behavior. We also introduce a novel technique to compute the orbital-resolved charge state of a proton projectile after transmission through the sheet. Our results provide insight into the dynamics of orbital occupations after the projectile exits the aluminum sheet and have important implications for advancing radiation hardness and focused-ion beam techniques, especially for few-layer materials.

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Comparison of three methods for calculation of electron transfer probability in H++Ne

Cited by 13 publications

References 28 publications

Theoretical investigation of He2+-Ar collisions in the energy range of 4–300 keV/amu

Theoretical investigation of He2+-Ar collisions in the energy range of 4–300 keV/amu

Energy and angular distribution of electrons in ionization of He and Ne by 6-MeV/u bare carbon ions: Comparison with continuum-distorted-wave eikonal-initial-state calculations in prior and post forms

Pre-equilibrium stopping and charge capture in proton-irradiated aluminum sheets

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